1M1O

crystal structure of biosynthetic thiolase, c89a mutant, complexed with acetoacetyl-coa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 57
  • Norm. En. per Res.: -5.4107
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-291.8071	-87.3105	-874.045	-1253.1626	245	34	1	30725	18	57	35
A-C	-7.9011	0.8429	-65.2058	-72.264	28	3	3	2592	0	4	11
A-D	-74.3059	-14.7315	-158.687	-247.7244	57	9	0	6074	1	15	14
B-C	-93.8101	-14.442	-200.159	-308.4111	57	10	0	6872	1	16	18
B-D	-19.3471	0.8416	-85.5155	-104.021	28	6	3	3219	0	4	12
C-D	-203.9676	-87.5979	-877.753	-1169.3185	247	34	2	31135	17	59	35

Interface residues

• A-B: ALA104A, ALA104B, ALA108A, ALA108B, ALA122A, ALA122B, ALA126A, ALA126B, ALA151A, ALA151B, ALA23A, ALA23B, ALA279A, ALA279B, ALA295A, ALA295B, ALA60A, ALA60B, ALA67A, ALA67B, ALA70A, ALA70B, ALA71A, ALA71B, ALA74A, ALA74B, ALA80A, ALA80B, ALA82A, ALA82B, ALA89A, ALA89B, ALA95A, ALA95B, ALA97A, ALA97B, ARG129A, ARG129B, ARG302A, ARG302B, ARG68A, ARG68B, ARG94A, ARG94B, ASN19A, ASN19B, ASN24A, ASN24B, ASN50A, ASN50B, ASN65A, ASN65B, ASN86A, ASN86B, ASP107A, ASP107B, ASP141A, ASP141B, ASP146A, ASP146B, ASP150A, ASP150B, ASP284A, ASP284B, CYS125A, CYS125B, GLN101A, GLN101B, GLN102A, GLN102B, GLN56A, GLN56B, GLN64A, GLN64B, GLN69A, GLN69B, GLN78A, GLN78B, GLN87A, GLN87B, GLU51A, GLU51B, GLU62A, GLU62B, GLU79A, GLU79B, GLY106A, GLY106B, GLY130A, GLY130B, GLY131B, GLY147A, GLY147B, GLY158A, GLY282A, GLY282B, GLY380A, GLY380B, GLY381A, GLY381B, GLY382A, GLY382B, GLY384A, GLY384B, GLY55A, GLY55B, GLY61A, GLY61B, GLY63A, GLY63B, GLY84A, GLY84B, GLY90A, GLY90B, GLY99A, GLY99B, HIS124A, HIS124B, HIS127A, HIS127B, HIS156A, HIS156B, HIS28A, HIS28B, ILE103A, ILE103B, ILE111A, ILE111B, ILE140A, ILE140B, ILE144A, ILE144B, ILE350A, ILE350B, ILE379A, ILE379B, ILE53A, ILE53B, LEU128A, LEU128B, LEU148A, LEU148B, LEU249A, LEU249B, LEU54A, LEU54B, LEU58A, LEU58B, LEU88A, LEU88B, LEU98A, LEU98B, LYS133B, LYS145A, LYS145B, LYS286A, LYS286B, LYS298A, LYS298B, LYS73A, LYS73B, MET100A, MET100B, MET119A, MET119B, MET121A, MET121B, MET139A, MET139B, MET143A, MET143B, MET157A, MET157B, MET288A, MET288B, MET383A, MET383B, MET72A, MET72B, MET85A, MET85B, PHE137A, PHE137B, PHE152A, PHE152B, PHE18A, PHE18B, PHE22A, PRO123A, PRO123B, PRO285A, PRO285B, PRO294A, PRO294B, PRO3A, PRO3B, PRO59A, PRO59B, PRO66A, PRO66B, PRO77A, PRO77B, SER109A, SER109B, SER118A, SER118B, SER120A, SER120B, SER277A, SER277B, SER91A, SER91B, THR105A, THR105B, THR142A, THR142B, THR149A, THR149B, THR160A, THR160B, THR25A, THR280A, THR280B, THR81A, THR81B, TRP278A, TRP278B, TRP83A, TRP83B, TYR153A, TYR153B, TYR155A, TYR155B, VAL281A, VAL281B, VAL283A, VAL283B, VAL287A, VAL287B, VAL385A, VAL385B, VAL52A, VAL52B, VAL57A, VAL57B
• A-C: ALA126A, ALA126C, ARG129A, ARG129C, ARG232A, ARG232C, ASP136C, GLY130A, GLY130C, GLY131A, GLY131C, GLY135A, GLY135C, HIS127A, LEU128A, LEU128C, LYS133A, LYS133C, LYS208A, LYS208C, MET134A, MET134C, MET139A, MET139C, PHE137A, PHE137C, VAL132A, VAL132C
• A-D: ALA122A, ALA126A, ALA126D, ALA234A, ALA243A, ASN19A, ASN19D, ASP136A, ASP136D, ASP141A, ASP141D, CYS125A, CYS125D, GLY131A, GLY131D, GLY135A, GLY135D, HIS124A, HIS124D, HIS156A, HIS156D, ILE140A, ILE140D, ILE144A, ILE144D, LEU128A, LEU128D, LEU148A, LEU148D, LEU249A, LEU249D, LYS133A, LYS133D, LYS138A, LYS138D, LYS145A, LYS145D, MET119A, MET134A, MET134D, MET139A, MET139D, MET143A, MET143D, PHE137A, PHE137D, PHE18A, PHE18D, PHE235A, PRO123A, SER120A, SER120D, THR142A, THR142D, THR149D, VAL132A, VAL132D
• B-C: ALA122C, ALA126B, ALA126C, ALA234C, ASN19B, ASN19C, ASP136B, ASP136C, ASP141B, ASP141C, CYS125B, CYS125C, GLY131B, GLY131C, GLY135B, GLY135C, HIS124B, HIS124C, HIS156B, HIS156C, ILE140B, ILE140C, ILE144B, ILE144C, LEU128B, LEU128C, LEU148B, LEU148C, LEU249B, LEU249C, LYS133B, LYS133C, LYS138B, LYS138C, LYS145B, LYS145C, MET119B, MET119C, MET134B, MET134C, MET139B, MET139C, MET143B, MET143C, PHE137B, PHE137C, PHE18B, PHE18C, PHE235C, PRO123B, PRO123C, SER120B, SER120C, THR142B, THR142C, VAL132B, VAL132C
• B-D: ALA126B, ALA126D, ARG129B, ARG129D, ARG232B, ARG232D, GLY130B, GLY130D, GLY131B, GLY131D, GLY135B, GLY135D, HIS127B, HIS127D, LEU128B, LEU128D, LYS133B, LYS133D, LYS208B, LYS208D, MET134B, MET134D, MET139B, MET139D, PHE137B, PHE137D, VAL132B, VAL132D
• C-D: ALA104C, ALA104D, ALA108C, ALA108D, ALA122C, ALA122D, ALA126C, ALA126D, ALA151C, ALA151D, ALA23C, ALA23D, ALA279C, ALA279D, ALA295C, ALA295D, ALA60C, ALA60D, ALA67C, ALA67D, ALA70C, ALA70D, ALA71C, ALA71D, ALA74C, ALA74D, ALA80C, ALA80D, ALA82C, ALA82D, ALA89C, ALA89D, ALA95C, ALA95D, ALA97C, ALA97D, ARG129C, ARG129D, ARG302C, ARG302D, ARG68C, ARG68D, ARG94C, ARG94D, ASN19C, ASN19D, ASN24C, ASN24D, ASN50C, ASN50D, ASN65C, ASN65D, ASN86C, ASN86D, ASP107C, ASP107D, ASP141C, ASP141D, ASP146C, ASP146D, ASP150C, ASP150D, ASP284C, ASP284D, CYS125C, CYS125D, GLN101C, GLN101D, GLN102C, GLN102D, GLN56C, GLN56D, GLN64C, GLN64D, GLN69C, GLN69D, GLN78C, GLN78D, GLN87C, GLN87D, GLU51C, GLU51D, GLU62C, GLU62D, GLU79C, GLU79D, GLY106C, GLY106D, GLY130C, GLY130D, GLY131C, GLY131D, GLY147C, GLY147D, GLY154D, GLY158C, GLY282C, GLY282D, GLY380C, GLY380D, GLY381C, GLY381D, GLY382C, GLY382D, GLY384C, GLY384D, GLY55C, GLY55D, GLY61C, GLY61D, GLY63C, GLY63D, GLY84C, GLY84D, GLY90D, GLY99C, GLY99D, HIS124C, HIS124D, HIS127C, HIS127D, HIS156C, HIS156D, HIS28C, HIS28D, ILE103C, ILE103D, ILE111C, ILE111D, ILE140C, ILE140D, ILE144C, ILE144D, ILE350C, ILE350D, ILE379C, ILE379D, ILE53C, ILE53D, ILE5D, LEU128C, LEU128D, LEU148C, LEU148D, LEU249C, LEU249D, LEU54C, LEU54D, LEU58C, LEU58D, LEU88C, LEU88D, LEU98C, LEU98D, LYS138C, LYS145C, LYS145D, LYS286C, LYS286D, LYS298C, LYS298D, LYS73C, LYS73D, MET100C, MET100D, MET119C, MET119D, MET121C, MET121D, MET139C, MET139D, MET143C, MET143D, MET157C, MET157D, MET288C, MET288D, MET383C, MET383D, MET72C, MET72D, MET85C, MET85D, PHE137C, PHE137D, PHE152C, PHE152D, PHE18C, PHE18D, PHE22C, PRO123C, PRO123D, PRO285C, PRO285D, PRO294C, PRO294D, PRO3C, PRO3D, PRO59C, PRO59D, PRO66C, PRO66D, PRO77C, PRO77D, SER109C, SER109D, SER118C, SER118D, SER120C, SER120D, SER277C, SER277D, SER91C, SER91D, THR105C, THR105D, THR142C, THR142D, THR149C, THR149D, THR160C, THR160D, THR25D, THR280C, THR280D, THR81C, THR81D, TRP278C, TRP278D, TRP83C, TRP83D, TYR153C, TYR153D, TYR155C, TYR155D, VAL281C, VAL281D, VAL283C, VAL283D, VAL287C, VAL287D, VAL385C, VAL385D, VAL52C, VAL52D, VAL57C, VAL57D